(2R)-2-amino-3-methyl-N-[(2S)-3-oxobutan-2-yl]butanamide

C9H18N2O2 — CID 59901743

IUPAC(2R)-2-amino-3-methyl-N-[(2S)-3-oxobutan-2-yl]butanamide
SMILESCC(=O)[C@H](C)NC(=O)[C@H](N)C(C)C
InChIInChI=1S/C9H18N2O2/c1-5(2)8(10)9(13)11-6(3)7(4)12/h5-6,8H,10H2,1-4H3,(H,11,13)/t6-,8+/m0/s1
InChIKeyQIAVAVZEYVSHDN-POYBYMJQSA-N
MW186.25 g/mol
LogP0.06
Rot. Bonds4

About (2R)-2-amino-3-methyl-N-[(2S)-3-oxobutan-2-yl]butanamide

(2R)-2-amino-3-methyl-N-[(2S)-3-oxobutan-2-yl]butanamide (PubChem CID 59901743) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is (2R)-2-amino-3-methyl-N-[(2S)-3-oxobutan-2-yl]butanamide.

Molecular Properties

Compound Name(2R)-2-amino-3-methyl-N-[(2S)-3-oxobutan-2-yl]butanamide
PubChem CID59901743
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC Name(2R)-2-amino-3-methyl-N-[(2S)-3-oxobutan-2-yl]butanamide
SMILESCC(=O)[C@H](C)NC(=O)[C@H](N)C(C)C
InChIInChI=1S/C9H18N2O2/c1-5(2)8(10)9(13)11-6(3)7(4)12/h5-6,8H,10H2,1-4H3,(H,11,13)/t6-,8+/m0/s1
InChIKeyQIAVAVZEYVSHDN-POYBYMJQSA-N
XLogP0.06
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3-methyl-N-[(2S)-3-oxobutan-2-yl]butanamide?
The IUPAC name of (2R)-2-amino-3-methyl-N-[(2S)-3-oxobutan-2-yl]butanamide (CID 59901743) is (2R)-2-amino-3-methyl-N-[(2S)-3-oxobutan-2-yl]butanamide.
What is the SMILES notation for (2R)-2-amino-3-methyl-N-[(2S)-3-oxobutan-2-yl]butanamide?
The canonical SMILES for (2R)-2-amino-3-methyl-N-[(2S)-3-oxobutan-2-yl]butanamide is CC(=O)[C@H](C)NC(=O)[C@H](N)C(C)C.
What is the InChIKey of (2R)-2-amino-3-methyl-N-[(2S)-3-oxobutan-2-yl]butanamide?
The InChIKey is QIAVAVZEYVSHDN-POYBYMJQSA-N. The full InChI is InChI=1S/C9H18N2O2/c1-5(2)8(10)9(13)11-6(3)7(4)12/h5-6,8H,10H2,1-4H3,(H,11,13)/t6-,8+/m0/s1.
What are the key properties of (2R)-2-amino-3-methyl-N-[(2S)-3-oxobutan-2-yl]butanamide?
(2R)-2-amino-3-methyl-N-[(2S)-3-oxobutan-2-yl]butanamide has a molecular weight of 186.25 g/mol, XLogP of 0.06, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3-methyl-N-[(2S)-3-oxobutan-2-yl]butanamide is sourced from PubChem (CID 59901743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).